SCHEMBL17214977

SCHEMBL17214977

COc1ccc(-c2ccc(-c3nnc(SCC(=O)O)[nH]3)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
NQO2 P16083 2/20 0.44
TDP1 Q9NUW8 1/20 0.41
EGFR P00533 1/20 0.41
GRK6 P43250 4/20 0.40
MAP3K8 P41279 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18539861 0.91 NQO2 (0.44) MAPTALDH1A1KDM4EPKMNQO2
SCHEMBL17214715 0.91 GRK6 (0.50) MAPTALDH1A1KDM4EPKMGRK6
SCHEMBL17214859 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EGRK6HSD17B10
SCHEMBL17214751 0.87 GRK6 (0.53) MAPTALDH1A1KDM4EGRK6GAA
SCHEMBL21763932 0.87 TDP1 (0.46) MAPTALDH1A1TDP1GRK6MAP3K8
SCHEMBL17214730 0.86 KDM4E (0.47) MAPTALDH1A1KDM4EPKMTDP1
SCHEMBL17214739 0.85 GRK6 (0.49) MAPTTDP1GRK6POLBHSD17B10
SCHEMBL17214754 0.85 MAP3K8 (0.45) MAPTALDH1A1KDM4EPKMGRK6
SCHEMBL18551852 0.85 NPSR1 (0.39) ALDH1A1KDM4ETDP1GRK6POLB
SCHEMBL17214958 0.85 ALDH1A1 (0.44) MAPTALDH1A1KDM4EPKMNQO2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902739-B2 Small molecule inhibitors of G protein coupled receptor 6 kinases polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-02-27 US disclosed
US-9902739-B2 Small molecule inhibitors of G protein coupled receptor 6 kinases polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-02-27 US disclosed
US-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 US disclosed
US-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 US disclosed
WO-2015164411-A9 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2016-05-26 WO disclosed
WO-2015164411-A2 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-10-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES GRK6, GRK2, GRK3 MAPT 4029/4885ALDH1A1 4741/4885KDM4E 4470/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.